CID 119712

Benzenediazonium, 4-(benzoylamino)-2-methoxy-5-methyl-

Structural Information

Molecular Formula
C15H14N3O2
SMILES
CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)[N+]#N
InChI
InChI=1S/C15H13N3O2/c1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11/h3-9H,1-2H3/p+1
InChIKey
NWJZRZVLSHYKLM-UHFFFAOYSA-O
Compound name
4-benzamido-2-methoxy-5-methylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

148
Patents

268.1086 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11588 168.4
[M+Na]+ 291.09782 177.6
[M-H]- 267.10132 175.3
[M+NH4]+ 286.14242 182.6
[M+K]+ 307.07176 168.9
[M+H-H2O]+ 251.10586 156.1
[M+HCOO]- 313.10680 190.7
[M+CH3COO]- 327.12245 209.0
[M+Na-2H]- 289.08327 174.2
[M]+ 268.10805 163.8
[M]- 268.10915 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe